6-tert-butyl-4-[3-(methoxymethyl)pyrrolidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine

C16H25N5O — CID 56903946

IUPAC6-tert-butyl-4-[3-(methoxymethyl)pyrrolidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
SMILESCOCC1CCN(c2nc(C(C)(C)C)nc3c2cnn3C)C1
InChIInChI=1S/C16H25N5O/c1-16(2,3)15-18-13-12(8-17-20(13)4)14(19-15)21-7-6-11(9-21)10-22-5/h8,11H,6-7,9-10H2,1-5H3
InChIKeyADYHXGFEACGPQT-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.13
Rot. Bonds3

About 6-tert-butyl-4-[3-(methoxymethyl)pyrrolidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine

6-tert-butyl-4-[3-(methoxymethyl)pyrrolidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine (PubChem CID 56903946) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is 6-tert-butyl-4-[3-(methoxymethyl)pyrrolidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name6-tert-butyl-4-[3-(methoxymethyl)pyrrolidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
PubChem CID56903946
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC Name6-tert-butyl-4-[3-(methoxymethyl)pyrrolidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
SMILESCOCC1CCN(c2nc(C(C)(C)C)nc3c2cnn3C)C1
InChIInChI=1S/C16H25N5O/c1-16(2,3)15-18-13-12(8-17-20(13)4)14(19-15)21-7-6-11(9-21)10-22-5/h8,11H,6-7,9-10H2,1-5H3
InChIKeyADYHXGFEACGPQT-UHFFFAOYSA-N
XLogP2.13
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-4-[3-(methoxymethyl)pyrrolidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 6-tert-butyl-4-[3-(methoxymethyl)pyrrolidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine (CID 56903946) is 6-tert-butyl-4-[3-(methoxymethyl)pyrrolidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 6-tert-butyl-4-[3-(methoxymethyl)pyrrolidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 6-tert-butyl-4-[3-(methoxymethyl)pyrrolidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine is COCC1CCN(c2nc(C(C)(C)C)nc3c2cnn3C)C1.
What is the InChIKey of 6-tert-butyl-4-[3-(methoxymethyl)pyrrolidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine?
The InChIKey is ADYHXGFEACGPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O/c1-16(2,3)15-18-13-12(8-17-20(13)4)14(19-15)21-7-6-11(9-21)10-22-5/h8,11H,6-7,9-10H2,1-5H3.
What are the key properties of 6-tert-butyl-4-[3-(methoxymethyl)pyrrolidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine?
6-tert-butyl-4-[3-(methoxymethyl)pyrrolidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine has a molecular weight of 303.41 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-4-[3-(methoxymethyl)pyrrolidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 56903946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).